tert-butyl N,N-bis[3-[(4-methylphenyl)sulfonyl-(4-methyl-2-sulfanyl-phenyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N,N-bis[3-[(4-methylphenyl)sulfonyl-(4-methyl-2-sulfanyl-phenyl)amino]propyl]carbamate Openeye Name: tert-butyl N,N-bis[3-[4-methyl-N-(p-tolylsulfonyl)-2-sulfanyl-anilino]propyl]carbamate CAS Name: N,N-bis[3-(2-mercapto-4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[3-(4-methyl-N-(4-methylphenyl)sulfonyl-2-sulfanylanilino)propyl]carbamate Traditional Name: N,N-bis[3-(2-mercapto-4-methyl-N-tosyl-anilino)propyl]carbamic acid tert-butyl ester Formula: C39H49N3O6S4 MolecularWeight: 784.08286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(C2=C(C=C(C=C2)C)S)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C4=C(C=C(C=C4)C)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCN(CCCN(C2=C(C=C(C=C2)C)S)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C)C4=C(C=C(C=C4)C)S

InChI

InChI=1S/C39H49N3O6S4/c1-28-10-16-32(17-11-28)51(44,45)41(34-20-14-30(3)26-36(34)49)24-8-22-40(38(43)48-39(5,6)7)23-9-25-42(35-21-15-31(4)27-37(35)50)52(46,47)33-18-12-29(2)13-19-33/h10-21,26-27,49-50H,8-9,22-25H2,1-7H3